Methyl tryptophanate hydrochloride

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  • Identifiers

    CAS number
    7524-52-9

    Molecular formula
    C12H15ClN2O2

    SMILES
    COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N.Cl

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 47.96%
    Grape 39.45%
    Fruity 31.59%
    Savory 26.66%
    Cooked 26.14%
    Roasted 24.01%
    Milky 22.19%
    Bitter 21.45%
    Citrus 21.12%
    Meaty 21.07%

     

    Flavor
    Bitter 75.84%
    Odorless 44.11%
    Bland 26.88%
    Mild 25.6%
    Sweet-like 21.21%
    Orange flower 19.85%
    Nitrile 19.8%
    Yeast 19.21%
    Heather 19.07%
    Fruity 19.01%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.38 (weak acid)

    Molecular weight
    254.71 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    448°C

    Flash point

    • 221.52 ˚C est.

  • Synonyms

    • 7524-52-9
    • L-Tryptophan methyl ester hydrochloride
    • Methyl tryptophanate hydrochloride
    • Methyl L-tryptophanate HCl
    • UNII-AU62O6861L
    • AU62O6861L
    • EINECS 231-385-5
    • METHYL TRYPTOPHANATE HCL
    • (S)-Tryptophan Methyl Ester Monohydrochloride
    • DTXSID10226219
    • L-TRYPTOPHAN, METHYL ESTER, HYDROCHLORIDE (1:1)
    • RefChem:158052
    • L-Tryptophan, methyl ester, monohydrochloride
    • DTXCID60148710
    • METHYL TRYPTOPHANATE HCL [INCI]
    • L-(-)-Tryptophan Methyl Ester Hydrochloride
    • TRYPTOPHAN METHYL ESTER MONOHYDROCHLORIDE
    • (S)-TRYPTOPHAN METHYL ESTER HYDROCHLORIDE
    • TRYPTOPHAN, METHYL ESTER, MONOHYDROCHLORIDE, L-
    • 231-385-5
    • H-Trp-OMe.HCl
    • Methyl L-Tryptophanate Hydrochloride
    • MFCD00066134
    • H-Trp-OMe HCl
    • (S)-methyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
    • L-Tryptophan methyl ester, HCl
    • L-TRYPTOPHAN METHYL ESTER HCl
    • methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
    • Methyl L-tryptophanate monohydrochloride
    • methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
    • [(2S)-3-(1H-Indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium;chloride
    • M02993
    • Tadalafil Impurity 14
    • TRYPTOPHAN METHYL ESTER hydrochloride
    • H-Trp-OMeaHCl
    • H-Trp-OMe?Cl
    • SCHEMBL378072
    • CHEMBL1222005
    • tryptophan methylester hydrochloride
    • BB_NC-03069
    • AKOS015845936
    • AKOS015892713
    • AC-8667
    • CS-W020709
    • DS-1214
    • FT28621
    • (L)-tryptophan methyl ester hydrochloride
    • AC-24146
    • SY009483
    • TS-00814
    • (L)-tryptophane methyl ester hydrochloride
    • NS00081963
    • T1657
    • L-Tryptophan methyl ester hydrochloride, 98%
    • EN300-153012
    • Methyl L-tryptophanate--hydrogen chloride (1/1)
    • 524T529
    • Q27274122
    • (S)-2-Amino-3-(1H-indol-3-yl)-propionic acidmethyl ester hydrochloride
    • 7524-52-9

  • Applications

    Methyl tryptophanate hydrochloride (CAS 7524-52-9) is primarily used as an intermediate and building block in pharmaceutical synthesis and medicinal chemistry to assemble tryptophan-containing compounds and peptide-like structures. In organic synthesis, it serves as a protected amino acid derivative or salt form that facilitates amide coupling and crystallization, while providing a tryptophan motif for library generation. In drug discovery contexts, it is often evaluated as a starting material to explore indole-based scaffolds and to enable diversification of tryptophan-containing candidates. It may also function as a chiral building block for polymers and materials, enabling the introduction of stereochemistry and functional handles when amino-acid derivatives are employed in material design.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.01
    methanol 166.93
    isopropanol 13.54
    water 18.3
    ethyl acetate 11.86
    n-propanol 23.84
    acetone 28.49
    n-butanol 16.39
    acetonitrile 7.26
    DMF 340.1
    toluene 0.87
    isobutanol 13.89
    1,4-dioxane 16.17
    methyl acetate 14.63
    THF 62.7
    2-butanone 20.67
    n-pentanol 12.63
    sec-butanol 14.59
    n-hexane 0.12
    ethylene glycol 93.33
    NMP 122.09
    cyclohexane 0.11
    DMSO 173.79
    n-butyl acetate 4.47
    n-octanol 0.89
    chloroform 5.76
    n-propyl acetate 7.13
    acetic acid 156.87
    dichloromethane 9.58
    cyclohexanone 21.24
    propylene glycol 55.86
    isopropyl acetate 6.03
    DMAc 249.58
    2-ethoxyethanol 165.8
    isopentanol 14.26
    n-heptane 0.12
    ethyl formate 23.46
    1,2-dichloroethane 6.78
    n-hexanol 5.81
    2-methoxyethanol 286.69
    isobutyl acetate 3.73
    tetrachloromethane 1.13
    n-pentyl acetate 3.84
    transcutol 138.76
    n-heptanol 3.33
    ethylbenzene 0.74
    MIBK 7.28
    2-propoxyethanol 54.15
    tert-butanol 13.21
    MTBE 4.23
    2-butoxyethanol 25.75
    propionic acid 37.39
    o-xylene 0.9
    formic acid 538.81
    diethyl ether 4.29
    m-xylene 0.82
    p-xylene 1.22
    chlorobenzene 2.01
    dimethyl carbonate 21.45
    n-octane 0.07
    formamide 768.52
    cyclopentanone 50.58
    2-pentanone 13.74
    anisole 5.99
    cyclopentyl methyl ether 8.37
    gamma-butyrolactone 80.05
    1-methoxy-2-propanol 98.69
    pyridine 18.22
    3-pentanone 9.69
    furfural 105.97
    n-dodecane 0.04
    diethylene glycol 115.26
    diisopropyl ether 1.05
    tert-amyl alcohol 15.07
    acetylacetone 24.17
    n-hexadecane 0.05
    acetophenone 10.51
    methyl propionate 19.81
    isopentyl acetate 5.6
    trichloroethylene 15.93
    n-nonanol 1.18
    cyclohexanol 6.44
    benzyl alcohol 14.74
    2-ethylhexanol 2.57
    isooctanol 2.92
    dipropyl ether 2.33
    1,2-dichlorobenzene 2.62
    ethyl lactate 16.63
    propylene carbonate 33.61
    n-methylformamide 203.57
    2-pentanol 6.53
    n-pentane 0.13
    1-propoxy-2-propanol 19.84
    1-methoxy-2-propyl acetate 14.95
    2-(2-methoxypropoxy) propanol 22.24
    mesitylene 0.57
    ε-caprolactone 25.67
    p-cymene 0.68
    epichlorohydrin 67.1
    1,1,1-trichloroethane 2.33
    2-aminoethanol 119.35
    morpholine-4-carbaldehyde 124.47
    sulfolane 97.68
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 19.44
    n-hexyl acetate 3.08
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 33.97
    sec-butyl acetate 4.32
    tert-butyl acetate 7.36
    decalin 0.12
    glycerin 178.07
    diglyme 68.48
    acrylic acid 62.67
    isopropyl myristate 1.32
    n-butyric acid 41.7
    acetyl acetate 8.69
    di(2-ethylhexyl) phthalate 4.54
    ethyl propionate 7.55
    nitromethane 197.43
    1,2-diethoxyethane 9.6
    benzonitrile 6.26
    trioctyl phosphate 2.5
    1-bromopropane 1.69
    gamma-valerolactone 109.41
    n-decanol 0.98
    triethyl phosphate 6.08
    4-methyl-2-pentanol 4.11
    propionitrile 5.38
    vinylene carbonate 28.32
    1,1,2-trichlorotrifluoroethane 94.38
    DMS 9.47
    cumene 0.69
    2-octanol 1.28
    2-hexanone 7.66
    octyl acetate 2.1
    limonene 0.84
    1,2-dimethoxyethane 82.32
    ethyl orthosilicate 5.16
    tributyl phosphate 3.2
    diacetone alcohol 26.82
    N,N-dimethylaniline 4.09
    acrylonitrile 13.19
    aniline 5.88
    1,3-propanediol 122.87
    bromobenzene 1.23
    dibromomethane 3.34
    1,1,2,2-tetrachloroethane 10.94
    2-methyl-cyclohexyl acetate 5.42
    tetrabutyl urea 4.75
    diisobutyl methanol 1.67
    2-phenylethanol 8.82
    styrene 0.96
    dioctyl adipate 3.66
    dimethyl sulfate 43.66
    ethyl butyrate 5.51
    methyl lactate 39.74
    butyl lactate 10.25
    diethyl carbonate 5.68
    propanediol butyl ether 20.14
    triethyl orthoformate 5.89
    p-tert-butyltoluene 0.6
    methyl 4-tert-butylbenzoate 10.46
    morpholine 35.79
    tert-butylamine 3.2
    n-dodecanol 0.78
    dimethoxymethane 79.06
    ethylene carbonate 19.54
    cyrene 38.16
    2-ethoxyethyl acetate 13.97
    2-ethylhexyl acetate 3.56
    1,2,4-trichlorobenzene 4.03
    4-methylpyridine 9.77
    dibutyl ether 1.05
    2,6-dimethyl-4-heptanol 1.67
    DEF 32.76
    dimethyl isosorbide 35.27
    tetrachloroethylene 9.88
    eugenol 17.81
    triacetin 11.5
    span 80 13.35
    1,4-butanediol 59.99
    1,1-dichloroethane 2.63
    2-methyl-1-pentanol 11.45
    methyl formate 108.22
    2-methyl-1-butanol 15.47
    n-decane 0.07
    butyronitrile 6.25
    3,7-dimethyl-1-octanol 1.57
    1-chlorooctane 0.26
    1-chlorotetradecane 0.16
    n-nonane 0.05
    undecane 0.05
    tert-butylcyclohexane 0.1
    cyclooctane 0.06
    cyclopentanol 14.69
    tetrahydropyran 6.57
    tert-amyl methyl ether 4.8
    2,5,8-trioxanonane 44.98
    1-hexene 0.66
    2-isopropoxyethanol 52.64
    2,2,2-trifluoroethanol 89.29
    methyl butyrate 12.81

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction